Modeling biogeochemical kinetics: Issues and data needs

G. T. Yeh, William D. Burgos, Y. L. Fang, J. M. Zachara

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

This paper focuses on reactive biogeochemical modeling issues and data needs. We show that (1) the minimum number of kinetic data needs is equal to the number of linearly independent kinetic reactions; (2) kinetic reactions that are linearly dependent on only equilibrium reactions are irrelevant; (3) a kinetic reaction that is linearly independent of other kinetic reactions can be analyzed based on one curve of kinetic-variable concentration-vs-time; and (4) kinetic reactions that are linearly dependent on each other can not be uniquely segregated for kinetic analyses. A simple example of biogeochemical reactive systems is used to illustrate the idea of assessing system consistency and minimum data needs for reaction-based modeling. This example considers the bioreduction of ferric oxide. It highlights the need for simple 'model' systems to study biogeochemical reactions because the inclusion of additional species will involve several more reactions and usually always increase the minimum number of species concentrations that must be measured.

Original languageEnglish (US)
Title of host publicationComputational methods in water resources - Volume 1 - Computational methods for subsurface flow and transport
EditorsL.R. Bentley, J.F. Sykes, C.A. Brebbia, W.G. Gray, G.F. Pinder, L.R. Bentley, J.F. Sykes, C.A. Brebbia, W.G. Gray, G.F. Pinder
PublisherA.A.Balkema
Pages435-442
Number of pages8
ISBN (Print)9058091244
StatePublished - Jan 1 2000
EventComputational Methods in Water Resources XIII - Calgary, Canada
Duration: Jun 25 2000Jun 29 2000

Other

OtherComputational Methods in Water Resources XIII
CountryCanada
CityCalgary
Period6/25/006/29/00

Fingerprint

reaction kinetics
Reaction kinetics
kinetics
Kinetics
modeling
need
oxide
Oxides

All Science Journal Classification (ASJC) codes

  • Earth and Planetary Sciences(all)
  • Engineering(all)
  • Environmental Science(all)

Cite this

Yeh, G. T., Burgos, W. D., Fang, Y. L., & Zachara, J. M. (2000). Modeling biogeochemical kinetics: Issues and data needs. In L. R. Bentley, J. F. Sykes, C. A. Brebbia, W. G. Gray, G. F. Pinder, L. R. Bentley, J. F. Sykes, C. A. Brebbia, W. G. Gray, ... G. F. Pinder (Eds.), Computational methods in water resources - Volume 1 - Computational methods for subsurface flow and transport (pp. 435-442). A.A.Balkema.
Yeh, G. T. ; Burgos, William D. ; Fang, Y. L. ; Zachara, J. M. / Modeling biogeochemical kinetics : Issues and data needs. Computational methods in water resources - Volume 1 - Computational methods for subsurface flow and transport. editor / L.R. Bentley ; J.F. Sykes ; C.A. Brebbia ; W.G. Gray ; G.F. Pinder ; L.R. Bentley ; J.F. Sykes ; C.A. Brebbia ; W.G. Gray ; G.F. Pinder. A.A.Balkema, 2000. pp. 435-442
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Yeh, GT, Burgos, WD, Fang, YL & Zachara, JM 2000, Modeling biogeochemical kinetics: Issues and data needs. in LR Bentley, JF Sykes, CA Brebbia, WG Gray, GF Pinder, LR Bentley, JF Sykes, CA Brebbia, WG Gray & GF Pinder (eds), Computational methods in water resources - Volume 1 - Computational methods for subsurface flow and transport. A.A.Balkema, pp. 435-442, Computational Methods in Water Resources XIII, Calgary, Canada, 6/25/00.

Modeling biogeochemical kinetics : Issues and data needs. / Yeh, G. T.; Burgos, William D.; Fang, Y. L.; Zachara, J. M.

Computational methods in water resources - Volume 1 - Computational methods for subsurface flow and transport. ed. / L.R. Bentley; J.F. Sykes; C.A. Brebbia; W.G. Gray; G.F. Pinder; L.R. Bentley; J.F. Sykes; C.A. Brebbia; W.G. Gray; G.F. Pinder. A.A.Balkema, 2000. p. 435-442.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

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N2 - This paper focuses on reactive biogeochemical modeling issues and data needs. We show that (1) the minimum number of kinetic data needs is equal to the number of linearly independent kinetic reactions; (2) kinetic reactions that are linearly dependent on only equilibrium reactions are irrelevant; (3) a kinetic reaction that is linearly independent of other kinetic reactions can be analyzed based on one curve of kinetic-variable concentration-vs-time; and (4) kinetic reactions that are linearly dependent on each other can not be uniquely segregated for kinetic analyses. A simple example of biogeochemical reactive systems is used to illustrate the idea of assessing system consistency and minimum data needs for reaction-based modeling. This example considers the bioreduction of ferric oxide. It highlights the need for simple 'model' systems to study biogeochemical reactions because the inclusion of additional species will involve several more reactions and usually always increase the minimum number of species concentrations that must be measured.

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Yeh GT, Burgos WD, Fang YL, Zachara JM. Modeling biogeochemical kinetics: Issues and data needs. In Bentley LR, Sykes JF, Brebbia CA, Gray WG, Pinder GF, Bentley LR, Sykes JF, Brebbia CA, Gray WG, Pinder GF, editors, Computational methods in water resources - Volume 1 - Computational methods for subsurface flow and transport. A.A.Balkema. 2000. p. 435-442